| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 17 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.90 | 2.33 | -17.06 | 3 | 5 | 0 | 78 | 343.124 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP3-1-B | DNA Topoisomerase III (cluster #1 Of 1), Bacterial | Bacteria | 380 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP3_BACSU | P96583 | DNA Topoisomerase III, Bacsu | 380 | 0.53 | Binding ≤ 1μM |
| TOP3_BACSU | P96583 | DNA Topoisomerase III, Bacsu | 380 | 0.53 | Binding ≤ 10μM |
